Inorganic Solid Phases

[K1.2Ca0.5Ba0.3][Fe0.5Ca0.2Mg0.15Na0.15][(Si10.35Al2.65)O25(OH)4]·7H2O (K1.2Na0.15Ba0.3Ca0.7Mg0.15Fe0.5Al2.65Si10.35O25[OH]4[H2O]7) Crystal Structure

General Information

  • Phase Label(s): K1.2Na0.15Ba0.3Ca0.7Mg0.15Fe0.5Al2.65Si10.35O25[OH]4[H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): günterblassite
  • Pearson Symbol: oP112
  • Space Group: 31
  • Phase Prototype: K1.2Na0.15Ba0.3Ca0.7Mg0.15Fe0.5(Al0.20Si0.80)13O25[OH]4[H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F; F > 2σ(F), R = 0.049
  • Sample Detail(s): günterblassite sample from Germany, Rhineland-Palatinate, Eifel, Gerolstein, Roth, Rother Kopf, chromatography, electron microprobe analysis; Na0.14K1.23Ba0.30Ca0.71Mg0.16Fe2+0.48Al3.06Si9.83O24.17[OH]4.83[H2O]7, single crystal (determination of cell parameters), single crystal, 0.05×0.2×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.2Na0.15Ba0.3Ca0.7Mg0.15Fe0.5Al2.65Si10.35O25[OH]4[H2O]7
  • Alphabetic Formula: Al2.65Ba0.3Ca0.7Fe0.5[H2O]7K1.2Mg0.15Na0.15O25[OH]4Si10.35
  • Published Formula: [K1.2Ca0.5Ba0.3][Fe0.5Ca0.2Mg0.15Na0.15][(Si10.35Al2.65)O25(OH)4]·7H2O
  • Refined Formula: Ba0.30Ca0.70Fe0.50H18K1.20Mg0.15Na0.15O36Si13
  • Wyckoff Sequence: 31,b15a26
  • Z Formula Units: 2
  • Density: ρ = 2.16 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1129086

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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